N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide

C19H32N2O4 — CID 125438596

IUPACN-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H32N2O4/c22-18(20-10-4-14-24-16-5-1-2-6-16)15-8-11-21(12-9-15)19(23)17-7-3-13-25-17/h15-17H,1-14H2,(H,20,22)/t17-/m0/s1
InChIKeyMYJVMGNJYOGXIJ-KRWDZBQOSA-N
MW352.48 g/mol
LogP1.87
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide

N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide (PubChem CID 125438596) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
PubChem CID125438596
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H32N2O4/c22-18(20-10-4-14-24-16-5-1-2-6-16)15-8-11-21(12-9-15)19(23)17-7-3-13-25-17/h15-17H,1-14H2,(H,20,22)/t17-/m0/s1
InChIKeyMYJVMGNJYOGXIJ-KRWDZBQOSA-N
XLogP1.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005371
[4-(2-hydroxyethoxy)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103899128
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104855710
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 70702982
2-[1-(oxane-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 55250892
N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 87015240

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide (CID 125438596) is N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide is O=C(NCCCOC1CCCC1)C1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is MYJVMGNJYOGXIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O4/c22-18(20-10-4-14-24-16-5-1-2-6-16)15-8-11-21(12-9-15)19(23)17-7-3-13-25-17/h15-17H,1-14H2,(H,20,22)/t17-/m0/s1.
What are the key properties of N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide?
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 125438596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).